0 B9R0.2 B(C=CCCCCC)(O)O E334496 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 C#CCCCCCC(=O)O O491862 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.2 C(CCCBr)CCC(=O)O B138642 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 C(CCCN)CCC(=O)O A151309 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.2 C(CCCN)CCC(=O)O A334272 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.2 C(CCCO)CCC(=O)O H334249 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 C(CCCO)CCC(=O)[O-] H333362 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.2 C=CCCCCCC(=O)O O168152 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.2 CC(=O)NCCCCCN N159177 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.2 CC(=O)NCCCCCN N423313 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.2 CC(=O)OCCCCCBr B152865 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 CC(C)CCCCCC=O M333901 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.2 CC(C)NCCCCCO I157485 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.2 CCCCCC#CC(=O)O B301308 [0,0,0,0,0,0|1,0,3]=4 14 B9R0.2 CCCCCC=CC(=O)C N302867 [0,0,0,0,0,0|0,0,4]=4 15 B9R0.2 CCCCCC=CC(=O)O T162199 [0,0,0,0,0,0|1,0,3]=4 16 B9R0.2 CCCCCC=CC(=O)O T422289 [0,0,0,0,0,0|1,0,3]=4 17 B9R0.2 CCCCCCCC(=O)C N105585 [0,0,0,0,0,0|0,0,2]=2 18 B9R0.2 CCCCCCCC(=O)Cl O101697 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 CCCCCCCC(=O)N N159412 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.2 CCCCCCCC(=O)O N421038 [0,0,0,0,0,0|1,0,1]=2 21 B9R0.2 CCCCCCCC(=O)O O108276 [0,0,0,0,0,0|1,0,1]=2 22 B9R0.2 CCCCCCCC(=O)O O108277 [0,0,0,0,0,0|1,0,1]=2 23 B9R0.2 CCCCCCCC(=O)O O108278 [0,0,0,0,0,0|1,0,1]=2 24 B9R0.2 CCCCCCCC(=O)O O108279 [0,0,0,0,0,0|1,0,1]=2 25 B9R0.2 CCCCCCCC(=O)O O431649 [0,0,0,0,0,0|1,0,1]=2 26 B9R0.2 CCCCCCCC(=O)O R113304 [0,0,0,0,0,0|1,0,1]=2 27 B9R0.2 CCCCCCCC(=O)[O-] L340331 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.2 CCCCCCCC(=O)[O-] S113206 [0,0,0,0,0,0|1,0,2]=3 29 B9R0.2 CCCCCCCC(=O)[O-] S117847 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.2 CCCCCCCC(=O)[O-] S491233 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.2 CCCCCCCC(C)C M158518 [0,0,0,0,0,0|1,0,0]=1 32 B9R0.2 CCCCCCCC(C)C M406711 [0,0,0,0,0,0|1,0,0]=1 33 B9R0.2 CCCCCCCC(C)O N159697 [0,0,0,0,0,0|0,0,0]=0 34 B9R0.2 CCCCCCCC(C)O N298586 [0,0,0,0,0,0|0,0,0]=0 35 B9R0.2 CCCCCCOC(=O)C H111061 [0,0,0,0,0,0|1,0,2]=3 36 B9R0.2 CCCCCCOC(=O)C H111062 [0,0,0,0,0,0|1,0,2]=3 37 B9R0.2 CCCCCCOC(=O)C H111063 [0,0,0,0,0,0|1,0,2]=3 38 B9R0.2 CCCCCCOC(=O)Cl H139072 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.2 CCCNCCCN(C)C D587926 [0,0,0,0,0,0|3,0,0]=3 40 B9R0.2 CN(C)CCCCCCO D133261 [0,0,0,0,0,0|3,0,0]=3 41 B9R0.2 COCCCCCC(=O)O M170253 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.4 C#CCCCCCCBr B590235 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.4 C#CCCCCCCN O587273 [1,0,0,0,0,0|1,0,2]=4 44 B8R0.4 C#CCCCCCCO O136501 [1,0,0,0,0,0|0,0,2]=3 45 B8R0.4 C(CCCBr)CCC#N B354089 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.4 C(CCCBr)CCCBr D106496 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.4 C(CCCN)CCCN D111099 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.4 C(CCCN)CCCO A493194 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.4 C(CCCO)CCCBr B132089 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.4 C(CCCO)CCCO H136447 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.4 C(CN)CNCCCN D155042 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.4 C(CNCCCO)CO H302815 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.4 C(CO)COCCCO O588346 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.4 C(CO)CSCCCO T472193 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.4 C(COCCCCl)CCl B194288 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.4 C=CCCCCCCBr B134900 [1,0,0,0,0,0|1,0,2]=4 57 B8R0.4 C=CCCCCCCO O159908 [1,0,0,0,0,0|0,0,2]=3 58 B8R0.4 CCC=CCCCCO C153379 [1,0,0,0,0,0|0,0,2]=3 59 B8R0.4 CCCCC#CCCO O159921 [1,0,0,0,0,0|0,0,2]=3 60 B8R0.4 CCCCC=CCCO C153378 [1,0,0,0,0,0|0,0,2]=3 61 B8R0.4 CCCCCC#CCC N159650 [1,0,0,0,0,0|0,0,2]=3 62 B8R0.4 CCCCCC#CCCl C154112 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.4 CCCCCC=CCO T161811 [1,0,0,0,0,0|0,0,2]=3 64 B8R0.4 CCCCCCCC#C N100831 [1,0,0,0,0,0|0,0,2]=3 65 B8R0.4 CCCCCCCC=C N109555 [1,0,0,0,0,0|0,0,2]=3 66 B8R0.4 CCCCCCCC=C N110481 [1,0,0,0,0,0|0,0,2]=3 67 B8R0.4 CCCCCCCC=O O106930 [1,0,0,0,0,0|0,0,2]=3 68 B8R0.4 CCCCCCCC=O O106931 [1,0,0,0,0,0|0,0,2]=3 69 B8R0.4 CCCCCCCC=O O345608 [1,0,0,0,0,0|0,0,2]=3 70 B8R0.4 CCCCCCCCBr B105260 [1,0,0,0,0,0|1,0,0]=2 71 B8R0.4 CCCCCCCCC N103391 [1,0,0,0,0,0|0,0,0]=1 72 B8R0.4 CCCCCCCCC N103392 [1,0,0,0,0,0|0,0,0]=1 73 B8R0.4 CCCCCCCCC N103393 [1,0,0,0,0,0|0,0,0]=1 74 B8R0.4 CCCCCCCCC N119711 [1,0,0,0,0,0|0,0,0]=1 75 B8R0.4 CCCCCCCCCl C111401 [1,0,0,0,0,0|1,0,0]=2 76 B8R0.4 CCCCCCCCCl C111402 [1,0,0,0,0,0|1,0,0]=2 77 B8R0.4 CCCCCCCCF F170468 [1,0,0,0,0,0|1,0,0]=2 78 B8R0.4 CCCCCCCCI I157580 [1,0,0,0,0,0|1,0,0]=2 79 B8R0.4 CCCCCCCCN N159007 [1,0,0,0,0,0|1,0,0]=2 80 B8R0.4 CCCCCCCCN N159690 [1,0,0,0,0,0|1,0,0]=2 81 B8R0.4 CCCCCCCCN O110545 [1,0,0,0,0,0|1,0,0]=2 82 B8R0.4 CCCCCCCCN O110546 [1,0,0,0,0,0|1,0,0]=2 83 B8R0.4 CCCCCCCCN O491873 [1,0,0,0,0,0|1,0,0]=2 84 B8R0.4 CCCCCCCCN O492190 [1,0,0,0,0,0|1,0,0]=2 85 B8R0.4 CCCCCCCCO O103324 [1,0,0,0,0,0|0,0,0]=1 86 B8R0.4 CCCCCCCCO O103325 [1,0,0,0,0,0|0,0,0]=1 87 B8R0.4 CCCCCCCCO O103326 [1,0,0,0,0,0|0,0,0]=1 88 B8R0.4 CCCCCCCCO O119018 [1,0,0,0,0,0|0,0,0]=1 89 B8R0.4 CCCCCCCCO O119679 [1,0,0,0,0,0|0,0,0]=1 90 B8R0.4 CCCCCCCCO O491594 [1,0,0,0,0,0|0,0,0]=1 91 B8R0.4 CCCCCCCCS O105587 [1,0,0,0,0,0|0,1,0]=2 92 B8R0.4 CCCCCCCC[CH2-] N332405 [1,0,0,0,0,0|0,0,1]=2 93 B8R0.4 CCCCCCCC[NH3+] N290338 [1,0,0,0,0,0|1,0,0]=2 94 B8R0.4 CCCCCCCSC H157103 [1,0,0,0,0,0|1,0,0]=2 95 B8R0.4 CCCCCCN=C=O H157416 [1,0,0,0,0,0|1,0,2]=4 96 B8R0.4 CCCCCCN=C=S H140517 [1,0,0,0,0,0|1,1,1]=4 97 B8R0.4 CCCCCCOC=O H113684 [1,0,0,0,0,0|1,0,2]=4 98 B8R0.4 CCCCCCON=O H157340 [1,0,0,0,0,0|2,0,1]=4 99 B8R0.4 CCCCNCCCC D111219 [1,0,0,0,0,0|1,0,0]=2 100 B8R0.4 CCCCNCCCC D189175 [1,0,0,0,0,0|1,0,0]=2 101 B8R0.4 CCCCNCCCC D345139 [1,0,0,0,0,0|1,0,0]=2 102 B8R0.4 CCCCNCCCC D404365 [1,0,0,0,0,0|1,0,0]=2 103 B8R0.4 CCCCNCCCC D404367 [1,0,0,0,0,0|1,0,0]=2 104 B8R0.4 CCCCNCCCC D431482 [1,0,0,0,0,0|1,0,0]=2 105 B8R0.4 CCCCNCCCC D494160 [1,0,0,0,0,0|1,0,0]=2 106 B8R0.4 CCCCOCCC#N B152448 [1,0,0,0,0,0|2,0,1]=4 107 B8R0.4 CCCCOCCCC B110451 [1,0,0,0,0,0|1,0,0]=2 108 B8R0.4 CCCCOCCCC B110452 [1,0,0,0,0,0|1,0,0]=2 109 B8R0.4 CCCCOCCCC B110453 [1,0,0,0,0,0|1,0,0]=2 110 B8R0.4 CCCCOCCCC B119693 [1,0,0,0,0,0|1,0,0]=2 111 B8R0.4 CCCCOCCCC B194104 [1,0,0,0,0,0|1,0,0]=2 112 B8R0.4 CCCCOCCCN B152034 [1,0,0,0,0,0|2,0,0]=3 113 B8R0.4 CCCCSCCCC B136661 [1,0,0,0,0,0|1,0,0]=2 114 B8R0.4 CCNCCCNCC D124208 [1,0,0,0,0,0|2,0,0]=3 115 B8R0.4 CCOCCOCCO D104410 [1,0,0,0,0,0|2,0,0]=3 116 B8R0.4 CCOCCOCCO D104411 [1,0,0,0,0,0|2,0,0]=3 117 B8R0.4 CCOCCOCCO D104412 [1,0,0,0,0,0|2,0,0]=3 118 B8R0.4 COCCCCCOC D155548 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.4 COCCNCCOC B152060 [1,0,0,0,0,0|3,0,0]=4 120 B8R0.4 COCCOCCCBr M158050 [1,0,0,0,0,0|3,0,0]=4 121 B8R0.4 COCCOCCOC M104413 [1,0,0,0,0,0|3,0,0]=4 122 B8R0.4 COCCOCCOC M104414 [1,0,0,0,0,0|3,0,0]=4 123 B8R0.4 COCCOCCOC M104417 [1,0,0,0,0,0|3,0,0]=4 124 B8R0.4 COCCOCCOC M104418 [1,0,0,0,0,0|3,0,0]=4 125 B8R0.4 COCCOCCOC M104420 [1,0,0,0,0,0|3,0,0]=4 126 B8R0.4 COCCOCCOC M104422 [1,0,0,0,0,0|3,0,0]=4 127 B8R0.4 COCCOCCOC M615388 [1,0,0,0,0,0|3,0,0]=4 128 B8R0.7 B(CCCCCC)(O)O H299977 [1,0,0,0,0,0|2,0,0]=3 129 B8R0.7 C(CCC(=O)O)CCBr B104555 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.7 C(CCC(=O)O)CCCl C121729 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.7 C(CCC(=O)O)CCN A306000 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.7 C(CCC(=O)O)CCN A433060 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.7 C(CCC(=O)O)CCO H302536 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.7 C(CCC(=O)O)CCS M292991 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.7 C(CCC(=O)O)CCS M345400 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 CC(C)NCCCCO I157483 [1,0,0,0,0,0|3,0,0]=4 137 B8R0.7 CCCCCCC(=O)C O111186 [1,0,0,0,0,0|0,0,2]=3 138 B8R0.7 CCCCCCC(=O)C O111187 [1,0,0,0,0,0|0,0,2]=3 139 B8R0.7 CCCCCCC(=O)Cl H102418 [1,0,0,0,0,0|1,0,2]=4 140 B8R0.7 CCCCCCC(=O)O H103518 [1,0,0,0,0,0|1,0,1]=3 141 B8R0.7 CCCCCCC(=O)O H103519 [1,0,0,0,0,0|1,0,1]=3 142 B8R0.7 CCCCCCC(=O)O H103520 [1,0,0,0,0,0|1,0,1]=3 143 B8R0.7 CCCCCCC(=O)O H431469 [1,0,0,0,0,0|1,0,1]=3 144 B8R0.7 CCCCCCC(=O)[O-] S161315 [1,0,0,0,0,0|1,0,2]=4 145 B8R0.7 CCCCCCC(C)Br B152446 [1,0,0,0,0,0|1,0,0]=2 146 B8R0.7 CCCCCCC(C)C M158524 [1,0,0,0,0,0|1,0,0]=2 147 B8R0.7 CCCCCCC(C)N A151716 [1,0,0,0,0,0|1,0,0]=2 148 B8R0.7 CCCCCCC(C)N I169738 [1,0,0,0,0,0|1,0,0]=2 149 B8R0.7 CCCCCCC(C)O O111525 [1,0,0,0,0,0|0,0,0]=1 150 B8R0.7 CCCCCCC(C)O O111526 [1,0,0,0,0,0|0,0,0]=1 151 B8R0.7 CCCCCCC(C)O O111527 [1,0,0,0,0,0|0,0,0]=1 152 B8R0.7 CCCCCCC(C)O O111528 [1,0,0,0,0,0|0,0,0]=1 153 B8R0.7 CCCCCCC(C)O R160889 [1,0,0,0,0,0|0,0,0]=1 154 B8R0.7 CCCCCCC(C)O S161171 [1,0,0,0,0,0|0,0,0]=1 155 B8R0.7 CCCCCCN(C)C N303722 [1,0,0,0,0,0|2,0,0]=3 156 B8R0.7 CCCCCOC(=O)C A103450 [1,0,0,0,0,0|1,0,2]=4 157 B8R0.7 CCCCCOC(=O)C A103451 [1,0,0,0,0,0|1,0,2]=4 158 B8R0.7 CCCCCOC(=O)C A103452 [1,0,0,0,0,0|1,0,2]=4 159 B8R0.7 CCCCOCC(=O)O B152317 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.7 CCCCOCC(C)O B151801 [1,0,0,0,0,0|1,0,0]=2 161 B10R0.3 CC(C)CCCC(C)CCBr B137574 [0,1,0,0,0,0|2,0,0]=3 162 B10R0.3 CC(C)CCCC(C)CCO T110148 [0,1,0,0,0,0|2,0,0]=3 163 B10R0.3 CC(CCCC(=C)C)CCO R485524 [0,1,0,0,0,0|2,0,1]=4 164 B10R0.3 CCCC(=O)CCCC(=O)O O303557 [0,1,0,0,0,0|1,0,2]=4 165 B10R0.3 CCCC(=O)OCCC(C)C I108580 [0,1,0,0,0,0|2,0,1]=4 166 B10R0.3 CCCC(=O)OCCC(C)C I108581 [0,1,0,0,0,0|2,0,1]=4 167 B10R0.3 CCCC(CCOC(=O)C)S M158207 [0,1,0,0,0,0|1,0,2]=4 168 B10R0.4 B(C=CCCCCCC)(O)O I170305 [0,1,0,0,0,0|2,0,1]=4 169 B10R0.4 B(CCCCCCCC)(O)O N404820 [0,1,0,0,0,0|2,0,0]=3 170 B10R0.4 C(CCCC(=O)O)CCCBr B135312 [0,1,0,0,0,0|1,0,1]=3 171 B10R0.4 C(CCCC(=O)O)CCCN A165345 [0,1,0,0,0,0|1,0,1]=3 172 B10R0.4 C(CCCC(=O)O)CCCO H473772 [0,1,0,0,0,0|1,0,1]=3 173 B10R0.4 C=CCCCCCCC(=O)O N404785 [0,1,0,0,0,0|1,0,2]=4 174 B10R0.4 CC(C)CCCCCCCO I298943 [0,1,0,0,0,0|1,0,0]=2 175 B10R0.4 CCCCCCC=CC(=O)C D154240 [0,1,0,0,0,0|0,0,3]=4 176 B10R0.4 CCCCCCC=CC(=O)O N303594 [0,1,0,0,0,0|1,0,2]=4 177 B10R0.4 CCCCCCCCC(=O)C D139185 [0,1,0,0,0,0|0,0,2]=3 178 B10R0.4 CCCCCCCCC(=O)C D139186 [0,1,0,0,0,0|0,0,2]=3 179 B10R0.4 CCCCCCCCC(=O)C D464910 [0,1,0,0,0,0|0,0,2]=3 180 B10R0.4 CCCCCCCCC(=O)Cl N158955 [0,1,0,0,0,0|1,0,2]=4 181 B10R0.4 CCCCCCCCC(=O)Cl N158958 [0,1,0,0,0,0|1,0,2]=4 182 B10R0.4 CCCCCCCCC(=O)O N110892 [0,1,0,0,0,0|1,0,1]=3 183 B10R0.4 CCCCCCCCC(=O)O N110893 [0,1,0,0,0,0|1,0,1]=3 184 B10R0.4 CCCCCCCCC(=O)O N110894 [0,1,0,0,0,0|1,0,1]=3 185 B10R0.4 CCCCCCCCC(=O)O N110895 [0,1,0,0,0,0|1,0,1]=3 186 B10R0.4 CCCCCCCCC(=O)O N196934 [0,1,0,0,0,0|1,0,1]=3 187 B10R0.4 CCCCCCCCC(=O)O N420639 [0,1,0,0,0,0|1,0,1]=3 188 B10R0.4 CCCCCCCCC(=O)[O-] S161312 [0,1,0,0,0,0|1,0,2]=4 189 B10R0.4 CCCCCCCCC(C)C M304432 [0,1,0,0,0,0|1,0,0]=2 190 B10R0.4 CCCCCCCCC(C)O D154355 [0,1,0,0,0,0|0,0,0]=1 191 B10R0.4 CCCCCCCCN(C)C D106326 [0,1,0,0,0,0|2,0,0]=3 192 B10R0.4 CCCCCCCOC(=O)C H157248 [0,1,0,0,0,0|0,0,2]=3 193 B10R0.4 CCCCCCCOC(=O)Cl H156985 [0,1,0,0,0,0|1,0,2]=4 194 B10R0.4 CCCCOCCOC(=O)C B111057 [0,1,0,0,0,0|1,0,2]=4 195 B10R0.4 CN(C)CCCNCCCN D124512 [0,1,0,0,0,0|3,0,0]=4 196 B10R0.6 C(CCN)CC(CC(=O)O)N L183473 [0,1,0,0,0,0|2,0,1]=4 197 B10R0.6 CCCCCC(=O)OC(C)C I340872 [0,1,0,0,0,0|2,0,1]=4 198 B10R0.6 CCCCCC(CC(=O)O)O H275940 [0,1,0,0,0,0|1,0,1]=3 199 B10R0.6 CCCCOC(=O)CC(C)C B152732 [0,1,0,0,0,0|2,0,1]=4 200 B10R0.22 CCCCCCCP(=O)(O)O H157407 [0,1,0,0,0,0|2,0,0]=3 201 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104933 [0,1,0,0,0,0|2,0,1]=4 202 B10R0.22 CCCCCCCS(=O)(=O)[O-] S104934 [0,1,0,0,0,0|2,0,1]=4 203 B10R0.22 CCCCCCCS(=O)(=O)[O-] S189072 [0,1,0,0,0,0|2,0,1]=4 204 B10R0.22 CCCCCCCS(=O)(=O)[O-] S475289 [0,1,0,0,0,0|2,0,1]=4 205 B10R0.22 CCCCCCC[Sn](Cl)(Cl)Cl T337341 [0,1,0,0,0,0|3,0,0]=4 206 B10R0.22 CCCCCCOS(=O)(=O)C H157015 [0,1,0,0,0,0|2,0,1]=4 207 B10R0.74 CCCCCCCC(=O)CC D154228 [0,1,0,0,0,0|0,0,2]=3 208 B10R0.74 CCCCCCCC(=O)NN N159466 [0,1,0,0,0,0|1,0,2]=4 209 B10R0.74 CCCCCCCC(=O)NO O123988 [0,1,0,0,0,0|1,0,1]=3 210 B10R0.74 CCCCCCCC(=O)N[O-] S303820 [0,1,0,0,0,0|1,0,2]=4 211 B10R0.74 CCCCCCCC(=O)OC M158053 [0,1,0,0,0,0|0,0,2]=3 212 B10R0.74 CCCCCCCC(=O)OC M158158 [0,1,0,0,0,0|0,0,2]=3 213 B10R0.74 CCCCCCCC(C=C)O D154363 [0,1,0,0,0,0|0,0,1]=2 214 B10R0.74 CCCCCCCC(CC)O D154380 [0,1,0,0,0,0|0,0,0]=1 215 B10R0.74 CCCCCCOC(=O)CC H157249 [0,1,0,0,0,0|1,0,2]=4 216 B10R0.74 COC(=O)CCCCCCBr M303935 [0,1,0,0,0,0|1,0,2]=4 217 B10R0.74 COC(=O)CCCCCCN M191642 [0,1,0,0,0,0|1,0,2]=4 218 B10R0.75 CCCCCCC(=O)C(=O)O O300763 [0,1,0,0,0,0|1,0,2]=4 219 B10R0.75 CCCCCCC(C(=O)O)Br B152296 [0,1,0,0,0,0|1,0,1]=3 220 B10R0.75 CCCCCCC(C(=O)O)N S134525 [0,1,0,0,0,0|1,0,1]=3 221 B10R0.75 CCCCCCC(C(=O)O)N S189878 [0,1,0,0,0,0|1,0,1]=3 222 B10R0.75 CCCCCCC(C(=O)O)O X139091 [0,1,0,0,0,0|1,0,1]=3 223 B10R0.78 CCCCC(=O)OCC(C)C I302149 [0,1,0,0,0,0|2,0,1]=4 224 B10R0.78 CCCCC(C)CCC(=O)O M103013 [0,1,0,0,0,0|1,0,1]=3 225 B10R0.97 CC(=O)CCCCCC(=O)O O472248 [0,1,0,0,0,0|1,0,2]=4 226 B10R0.97 CC(C)CCNCCC(C)C D154175 [0,1,0,0,0,0|2,0,0]=3 227 B10R0.97 CC(C)CCOCCC(C)C I100402 [0,1,0,0,0,0|2,0,0]=3 228 B10R0.97 CC(C)NCCCNC(C)C N468179 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.10 CCCC1CCCC(=O)O1 O117516 [0,0,0,1,0,0|1,0,1]=3 230 B10R1.10 CCCC1CCOC(S1)C M103004 [0,0,0,1,0,0|1,1,0]=3 231 B10R1.16 CCCCC1CCC(=O)O1 O117514 [0,0,0,1,0,0|1,0,1]=3 232 B10R1.18 B(CC1CCCCC1)(O)O C335897 [0,0,0,1,0,0|2,0,0]=3 233 B10R1.18 C1CC(CNC1)CC(=O)O P177340 [0,0,0,1,0,0|2,0,1]=4 234 B10R1.18 C1CCC(CC1)CC(=O)O C153818 [0,0,0,1,0,0|1,0,1]=3 235 B10R1.18 C1CCN(CC1)CC(=O)O D303438 [0,0,0,1,0,0|2,0,1]=4 236 B10R1.18 C1CCNC(C1)CC(=O)O P168289 [0,0,0,1,0,0|2,0,1]=4 237 B10R1.18 CC(=O)CC1CCCCC1 C478562 [0,0,0,1,0,0|0,0,2]=3 238 B10R1.18 CC(=O)OC1CCCCC1 C153425 [0,0,0,1,0,0|1,0,2]=4 239 B10R1.18 CC(C)CC1CCCCC1 I157550 [0,0,0,1,0,0|1,0,0]=2 240 B10R1.18 CC(C)CN1CCOCC1 I157428 [0,0,0,1,0,0|3,0,0]=4 241 B10R1.18 CC(C)NC1CCCCC1 N159075 [0,0,0,1,0,0|2,0,0]=3 242 B10R1.18 CC(CN1CCOCC1)O H168534 [0,0,0,1,0,0|2,0,0]=3 243 B10R1.61 C1CCC(C(C1)C(=O)O)N C349166 [0,0,0,1,0,0|2,0,1]=4 244 B10R1.61 C1CCC(C(C1)C(=O)O)O H157379 [0,0,0,1,0,0|2,0,1]=4 245 B10R1.61 CC1C(CCCN1)C(=O)O M190173 [0,0,0,1,0,0|2,0,1]=4 246 B10R1.61 CC1CCCCC1C(=O)O M492419 [0,0,0,1,0,0|1,0,1]=3 247 B10R1.61 CN(C)C1CCCCC1N R192714 [0,0,0,1,0,0|3,0,0]=4 248 B10R1.61 CN(C)C1CCCCC1N S195654 [0,0,0,1,0,0|3,0,0]=4 249 B10R1.66 C1CCC(C1)CCC(=O)Cl C102472 [0,0,0,1,0,0|1,0,2]=4 250 B10R1.66 C1CCC(C1)CCC(=O)O W132385 [0,0,0,1,0,0|1,0,1]=3 251 B10R1.78 C1CCCC(=O)NCCC1 O159932 [0,0,0,1,0,0|1,0,2]=4 252 B10R1.348 C1CCCC(CC1)C(=O)Cl C589802 [0,0,0,1,0,0|1,0,2]=4 253 B10R1.348 C1CCCC(CC1)C(=O)O C121819 [0,0,0,1,0,0|1,0,1]=3 254 B7R0.1 C#CCCCCCO H135241 [2,0,0,0,0,0|0,0,2]=4 255 B7R0.1 C(CCCBr)CCBr D106541 [2,0,0,0,0,0|2,0,0]=4 256 B7R0.1 C(CCCBr)CCCl B111196 [2,0,0,0,0,0|2,0,0]=4 257 B7R0.1 C(CCCBr)CCF B405383 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.1 C(CCCBr)CCO B138834 [2,0,0,0,0,0|1,0,0]=3 259 B7R0.1 C(CCCBr)CCO S304692 [2,0,0,0,0,0|1,0,0]=3 260 B7R0.1 C(CCCCl)CCCl D110131 [2,0,0,0,0,0|2,0,0]=4 261 B7R0.1 C(CCCCl)CCO C109454 [2,0,0,0,0,0|1,0,0]=3 262 B7R0.1 C(CCCI)CCCl C153665 [2,0,0,0,0,0|2,0,0]=4 263 B7R0.1 C(CCCI)CCI D119377 [2,0,0,0,0,0|2,0,0]=4 264 B7R0.1 C(CCCN)CCN D134228 [2,0,0,0,0,0|2,0,0]=4 265 B7R0.1 C(CCCN)CCN H103908 [2,0,0,0,0,0|2,0,0]=4 266 B7R0.1 C(CCCN)CCN H103909 [2,0,0,0,0,0|2,0,0]=4 267 B7R0.1 C(CCCN)CCN H103910 [2,0,0,0,0,0|2,0,0]=4 268 B7R0.1 C(CCCO)CCN A101232 [2,0,0,0,0,0|1,0,0]=3 269 B7R0.1 C(CCCO)CCO H103707 [2,0,0,0,0,0|1,0,0]=3 270 B7R0.1 C(CCCO)CCO H103708 [2,0,0,0,0,0|1,0,0]=3 271 B7R0.1 C(CCCS)CCN A487010 [2,0,0,0,0,0|1,1,0]=4 272 B7R0.1 C(CCCS)CCO M123042 [2,0,0,0,0,0|1,0,0]=3 273 B7R0.1 C(CCCS)CCO M299208 [2,0,0,0,0,0|1,0,0]=3 274 B7R0.1 C(CCCS)CCS H106695 [2,0,0,0,0,0|1,1,0]=4 275 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [2,0,0,0,0,0|2,0,0]=4 276 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [2,0,0,0,0,0|2,0,0]=4 278 B7R0.1 C(CN)CNCCO N184580 [2,0,0,0,0,0|2,0,0]=4 279 B7R0.1 C(CNCCN)CO N159094 [2,0,0,0,0,0|2,0,0]=4 280 B7R0.1 C=CCCCCCO H156869 [2,0,0,0,0,0|0,0,2]=4 281 B7R0.1 CCC=CCCCO C153484 [2,0,0,0,0,0|0,0,2]=4 282 B7R0.1 CCCC#CCCC O106927 [2,0,0,0,0,0|0,0,2]=4 283 B7R0.1 CCCC#CCCO H157374 [2,0,0,0,0,0|0,0,2]=4 284 B7R0.1 CCCC=CCCC C153585 [2,0,0,0,0,0|0,0,2]=4 285 B7R0.1 CCCC=CCCC T161815 [2,0,0,0,0,0|0,0,2]=4 286 B7R0.1 CCCC=CCCO C332847 [2,0,0,0,0,0|0,0,2]=4 287 B7R0.1 CCCCC=CCC C153584 [2,0,0,0,0,0|0,0,2]=4 288 B7R0.1 CCCCC=CCC T161817 [2,0,0,0,0,0|0,0,2]=4 289 B7R0.1 CCCCC=CCO T161435 [2,0,0,0,0,0|0,0,2]=4 290 B7R0.1 CCCCCC=CC C153583 [2,0,0,0,0,0|0,0,2]=4 291 B7R0.1 CCCCCC=CC O159996 [2,0,0,0,0,0|0,0,2]=4 292 B7R0.1 CCCCCC=CC T161814 [2,0,0,0,0,0|0,0,2]=4 293 B7R0.1 CCCCCCC#C O109633 [2,0,0,0,0,0|0,0,2]=4 294 B7R0.1 CCCCCCC#N H156965 [2,0,0,0,0,0|1,0,1]=4 295 B7R0.1 CCCCCCC=C O108659 [2,0,0,0,0,0|0,0,2]=4 296 B7R0.1 CCCCCCC=C O108660 [2,0,0,0,0,0|0,0,2]=4 297 B7R0.1 CCCCCCC=O H105934 [2,0,0,0,0,0|0,0,2]=4 298 B7R0.1 CCCCCCC=O H105935 [2,0,0,0,0,0|0,0,2]=4 299 B7R0.1 CCCCCCCBr B109258 [2,0,0,0,0,0|1,0,0]=3 300 B7R0.1 CCCCCCCC O100577 [2,0,0,0,0,0|0,0,0]=2 301 B7R0.1 CCCCCCCC O100578 [2,0,0,0,0,0|0,0,0]=2 302 B7R0.1 CCCCCCCC O100580 [2,0,0,0,0,0|0,0,0]=2 303 B7R0.1 CCCCCCCC O100581 [2,0,0,0,0,0|0,0,0]=2 304 B7R0.1 CCCCCCCC O119714 [2,0,0,0,0,0|0,0,0]=2 305 B7R0.1 CCCCCCCCl C153657 [2,0,0,0,0,0|1,0,0]=3 306 B7R0.1 CCCCCCCI I157581 [2,0,0,0,0,0|1,0,0]=3 307 B7R0.1 CCCCCCCN H113175 [2,0,0,0,0,0|1,0,0]=3 308 B7R0.1 CCCCCCCO H108210 [2,0,0,0,0,0|0,0,0]=2 309 B7R0.1 CCCCCCCO H108211 [2,0,0,0,0,0|0,0,0]=2 310 B7R0.1 CCCCCCCO H108212 [2,0,0,0,0,0|0,0,0]=2 311 B7R0.1 CCCCCCCS H102322 [2,0,0,0,0,0|0,1,0]=3 312 B7R0.1 CCCCCCNC N341547 [2,0,0,0,0,0|1,0,0]=3 313 B7R0.1 CCCCCCOC H157292 [2,0,0,0,0,0|1,0,0]=3 314 B7R0.1 CCCCNCCN N159361 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.1 CCCCNCCO B140397 [2,0,0,0,0,0|1,0,0]=3 316 B7R0.1 CCCCNCCO B299088 [2,0,0,0,0,0|1,0,0]=3 317 B7R0.1 CCCCNCCS B469395 [2,0,0,0,0,0|1,1,0]=4 318 B7R0.1 CCCCOCCCl B152831 [2,0,0,0,0,0|2,0,0]=4 319 B7R0.1 CCCCOCCN B357161 [2,0,0,0,0,0|2,0,0]=4 320 B7R0.1 CCCCOCCO E110823 [2,0,0,0,0,0|1,0,0]=3 321 B7R0.1 CCCCOCCO E110827 [2,0,0,0,0,0|1,0,0]=3 322 B7R0.1 CCCNCCCN I168897 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.1 CCCNCCOC N158962 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.1 CCCSSCCC D102910 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.1 CCNCCNCC N159359 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.1 CCOCCOCC E103986 [2,0,0,0,0,0|2,0,0]=4 327 B7R0.1 CCOCCOCC E103987 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.1 CCOCCOCC E103989 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.1 COCCOCCO D104406 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.1 COCCOCCO D104407 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.1 COCCOCCO D104408 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.4 B(CCCCC)(O)O N193507 [2,0,0,0,0,0|2,0,0]=4 333 B7R0.4 CC(CCCCO)O H474422 [2,0,0,0,0,0|1,0,0]=3 334 B7R0.4 CC(CNCCN)O N159095 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.4 CCCCCC(=C)C M158504 [2,0,0,0,0,0|1,0,1]=4 336 B7R0.4 CCCCCC(=O)C H103803 [2,0,0,0,0,0|0,0,2]=4 337 B7R0.4 CCCCCC(=O)C H103827 [2,0,0,0,0,0|0,0,2]=4 338 B7R0.4 CCCCCC(=O)O H103630 [2,0,0,0,0,0|1,0,1]=4 339 B7R0.4 CCCCCC(=O)O H103631 [2,0,0,0,0,0|1,0,1]=4 340 B7R0.4 CCCCCC(=O)O H103632 [2,0,0,0,0,0|1,0,1]=4 341 B7R0.4 CCCCCC(=O)O H278778 [2,0,0,0,0,0|1,0,1]=4 342 B7R0.4 CCCCCC(=O)O H432079 [2,0,0,0,0,0|1,0,1]=4 343 B7R0.4 CCCCCC(C)C M113649 [2,0,0,0,0,0|1,0,0]=3 344 B7R0.4 CCCCCC(C)C M406726 [2,0,0,0,0,0|1,0,0]=3 345 B7R0.4 CCCCCC(C)N A166657 [2,0,0,0,0,0|1,0,0]=3 346 B7R0.4 CCCCCC(C)N A421028 [2,0,0,0,0,0|1,0,0]=3 347 B7R0.4 CCCCCC(C)N S474322 [2,0,0,0,0,0|1,0,0]=3 348 B7R0.4 CCCCCC(C)O H100747 [2,0,0,0,0,0|0,0,0]=2 349 B7R0.4 CCCCCC(C)O I137289 [2,0,0,0,0,0|0,0,0]=2 350 B7R0.4 CCCOCC(C)O P160113 [2,0,0,0,0,0|1,0,0]=3 351 B9R0.5 CCCCCC(=O)CCC N158991 [1,1,0,0,0,0|0,0,1]=3 352 B9R0.5 CCCCCC(=O)OCC E103497 [1,1,0,0,0,0|1,0,1]=4 353 B9R0.5 CCCCCC(=O)OCC E103498 [1,1,0,0,0,0|1,0,1]=4 354 B9R0.5 CCCCCC(=O)OCC E103499 [1,1,0,0,0,0|1,0,1]=4 355 B9R0.5 CCCCCC(C)CCC M158520 [1,1,0,0,0,0|0,0,0]=2 356 B9R0.5 CCCCOC(=O)CCC B103463 [1,1,0,0,0,0|1,0,1]=4 357 B9R0.5 CCCCOC(=O)CCC B103464 [1,1,0,0,0,0|1,0,1]=4 358 B9R0.18 CCCCC(=O)CCCC N102321 [1,1,0,0,0,0|0,0,1]=3 359 B9R0.18 CCCCC(C)CCCC M158523 [1,1,0,0,0,0|0,0,0]=2 360 B9R0.18 CCCCC(CCCC)O N159700 [1,1,0,0,0,0|0,0,0]=2 361 B9R0.18 CCCCN(C)CCCC I169712 [1,1,0,0,0,0|1,0,0]=3 362 B9R0.18 CCCCN(C)CCCC N494461 [1,1,0,0,0,0|1,0,0]=3 363 B9R0.18 CCCCS(=O)CCCC D155298 [1,1,0,0,0,0|1,0,0]=3 364 B9R0.18 CCCC[Sn](=O)CCCC D112984 [1,1,0,0,0,0|1,0,0]=3 365 B9R0.18 CCOCC(COCC)O D154147 [1,1,0,0,0,0|2,0,0]=4 366 B9R0.45 C(CCCCBr)CCCBr D106497 [1,1,0,0,0,0|1,0,0]=3 367 B9R0.45 C(CCCCBr)CCCO B153197 [1,1,0,0,0,0|0,0,0]=2 368 B9R0.45 C(CCCCBr)CCCO B467865 [1,1,0,0,0,0|0,0,0]=2 369 B9R0.45 C(CCCCCl)CCCCl D155002 [1,1,0,0,0,0|1,0,0]=3 370 B9R0.45 C(CCCCCl)CCCO C134369 [1,1,0,0,0,0|0,0,0]=2 371 B9R0.45 C(CCCCI)CCCI D155008 [1,1,0,0,0,0|1,0,0]=3 372 B9R0.45 C(CCCCI)CCCI D473785 [1,1,0,0,0,0|1,0,0]=3 373 B9R0.45 C(CCCCN)CCCN D106924 [1,1,0,0,0,0|1,0,0]=3 374 B9R0.45 C(CCCCN)CCCN O292851 [1,1,0,0,0,0|1,0,0]=3 375 B9R0.45 C(CCCCN)CCCN O492961 [1,1,0,0,0,0|1,0,0]=3 376 B9R0.45 C(CCCCO)CCCN A151057 [1,1,0,0,0,0|0,0,0]=2 377 B9R0.45 C(CCCCO)CCCO O106925 [1,1,0,0,0,0|0,0,0]=2 378 B9R0.45 C(CCCCS)CCCS O109630 [1,1,0,0,0,0|0,1,0]=3 379 B9R0.45 C(CCCO)CCN=[N+]=[N-] A405659 [1,1,0,0,0,0|2,0,0]=4 380 B9R0.45 C(CCNCCCN)CN N136556 [1,1,0,0,0,0|2,0,0]=4 381 B9R0.45 C(CCNCCCN)CN N493987 [1,1,0,0,0,0|2,0,0]=4 382 B9R0.45 C(CCNCCCN)CN S107071 [1,1,0,0,0,0|2,0,0]=4 383 B9R0.45 C(CCNCCCN)CN S416439 [1,1,0,0,0,0|2,0,0]=4 384 B9R0.45 C(CCNCCCN)CN S421040 [1,1,0,0,0,0|2,0,0]=4 385 B9R0.45 C(CNCCO)NCCO N140386 [1,1,0,0,0,0|2,0,0]=4 386 B9R0.45 C(COCCOCCBr)O B339878 [1,1,0,0,0,0|2,0,0]=4 387 B9R0.45 C(COCCOCCCl)O C133890 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.45 C(COCCOCCO)N H122187 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.45 C(COCCOCCO)O P486555 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.45 C(COCCOCCO)O T110408 [1,1,0,0,0,0|2,0,0]=4 391 B9R0.45 C(COCCOCCO)O T110409 [1,1,0,0,0,0|2,0,0]=4 392 B9R0.45 C(CSCCSCCO)O D108026 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.45 C=CCCCCCCCBr B405165 [1,1,0,0,0,0|0,0,2]=4 394 B9R0.45 CCC=CCCCCCO N117508 [1,1,0,0,0,0|0,0,1]=3 395 B9R0.45 CCCCC#CCCCC D155794 [1,1,0,0,0,0|0,0,1]=3 396 B9R0.45 CCCCC=CCCCC C153572 [1,1,0,0,0,0|0,0,1]=3 397 B9R0.45 CCCCCC#CCCO N159701 [1,1,0,0,0,0|0,0,1]=3 398 B9R0.45 CCCCCC=CCCO C153389 [1,1,0,0,0,0|0,0,1]=3 399 B9R0.45 CCCCCCC=CCO C153388 [1,1,0,0,0,0|0,0,1]=3 400 B9R0.45 CCCCCCC=CCO T162746 [1,1,0,0,0,0|0,0,1]=3 401 B9R0.45 CCCCCCCCC#C D301987 [1,1,0,0,0,0|0,0,1]=3 402 B9R0.45 CCCCCCCCC#N N158917 [1,1,0,0,0,0|0,0,1]=3 403 B9R0.45 CCCCCCCCC=C D106872 [1,1,0,0,0,0|0,0,1]=3 404 B9R0.45 CCCCCCCCC=C D106873 [1,1,0,0,0,0|0,0,1]=3 405 B9R0.45 CCCCCCCCC=O N111142 [1,1,0,0,0,0|0,0,1]=3 406 B9R0.45 CCCCCCCCCBr B105786 [1,1,0,0,0,0|0,0,0]=2 407 B9R0.45 CCCCCCCCCC D105229 [1,1,0,0,0,0|0,0,0]=2 408 B9R0.45 CCCCCCCCCC D105230 [1,1,0,0,0,0|0,0,0]=2 409 B9R0.45 CCCCCCCCCC D105231 [1,1,0,0,0,0|0,0,0]=2 410 B9R0.45 CCCCCCCCCC D105232 [1,1,0,0,0,0|0,0,0]=2 411 B9R0.45 CCCCCCCCCC D119691 [1,1,0,0,0,0|0,0,0]=2 412 B9R0.45 CCCCCCCCCCl C153658 [1,1,0,0,0,0|0,0,0]=2 413 B9R0.45 CCCCCCCCCI I157582 [1,1,0,0,0,0|0,0,0]=2 414 B9R0.45 CCCCCCCCCN N106767 [1,1,0,0,0,0|0,0,0]=2 415 B9R0.45 CCCCCCCCCO N105713 [1,1,0,0,0,0|0,0,0]=2 416 B9R0.45 CCCCCCCCCO N105714 [1,1,0,0,0,0|0,0,0]=2 417 B9R0.45 CCCCCCCCCO N301992 [1,1,0,0,0,0|0,0,0]=2 418 B9R0.45 CCCCCCCCCS N102324 [1,1,0,0,0,0|0,0,0]=2 419 B9R0.45 CCCCCCCCNC N159069 [1,1,0,0,0,0|0,0,0]=2 420 B9R0.45 CCCCCCCCSC M135102 [1,1,0,0,0,0|0,0,0]=2 421 B9R0.45 CCCCCCCN=C=S H140574 [1,1,0,0,0,0|0,1,1]=4 422 B9R0.45 CCCCCCCNCC E124207 [1,1,0,0,0,0|0,0,0]=2 423 B9R0.45 CCCCCCNCCN B301384 [1,1,0,0,0,0|1,0,0]=3 424 B9R0.45 CCCCCCOCCO E107697 [1,1,0,0,0,0|0,0,0]=2 425 B9R0.45 CCCCCCOCCO E107698 [1,1,0,0,0,0|0,0,0]=2 426 B9R0.45 CCCCNCCCCO B151924 [1,1,0,0,0,0|0,0,0]=2 427 B9R0.45 CCCCSSCCCC D154917 [1,1,0,0,0,0|1,0,0]=3 428 B9R0.45 CCCCSSCCCC D154922 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.45 CCOCCCCOCC D357158 [1,1,0,0,0,0|1,0,0]=3 430 B9R0.45 CCOCCOCCOC D302026 [1,1,0,0,0,0|2,0,0]=4 431 B9R0.45 CNCCCCCCNC N159351 [1,1,0,0,0,0|1,0,0]=3 432 B9R0.45 COCCCCCCOC D155368 [1,1,0,0,0,0|1,0,0]=3 433 B9R0.46 CCCCCCC(=O)CC N158994 [1,1,0,0,0,0|0,0,1]=3 434 B9R0.46 CCCCCCC(=O)OC M158054 [1,1,0,0,0,0|1,0,1]=4 435 B9R0.46 CCCCCCC(=O)OC M158149 [1,1,0,0,0,0|1,0,1]=4 436 B9R0.46 CCCCCCC(C)CC M158519 [1,1,0,0,0,0|0,0,0]=2 437 B9R0.46 CCCCCCC(CC)O N159698 [1,1,0,0,0,0|0,0,0]=2 438 B9R0.46 CCCCCCC(CO)O O108069 [1,1,0,0,0,0|0,0,0]=2 439 B9R0.46 CCCCCOC(=O)CC P137733 [1,1,0,0,0,0|1,0,1]=4 440 B9R0.1 CCC(C)CCCC(C)C D154774 [1,1,0,0,0,0|1,0,0]=3 441 B9R0.4 CCCCC(CC(=O)O)N A165644 [1,1,0,0,0,0|1,0,1]=4 442 B9R0.38 CCCCCCP(=O)(O)O H157410 [1,1,0,0,0,0|2,0,0]=4 443 B9R0.38 CCCCCC[N+](C)(C)C H157080 [1,1,0,0,0,0|2,0,0]=4 444 B9R0.38 CCCCCC[Si](C)(C)Cl C405518 [1,1,0,0,0,0|1,1,0]=4 445 B9R0.38 CCCCCC[Si](C)(Cl)Cl D154169 [1,1,0,0,0,0|1,1,0]=4 446 B9R0.47 CCCCCC(C(=O)O)N D137428 [1,1,0,0,0,0|1,0,1]=4 447 B9R0.47 CCCCCC(C(=O)O)N S193453 [1,1,0,0,0,0|1,0,1]=4 448 B9R0.47 CCCCCC(C)C(=O)O M102645 [1,1,0,0,0,0|1,0,1]=4 449 B9R0.47 CCCCOC(=O)C(C)O B111190 [1,1,0,0,0,0|1,0,1]=4 450 B9R0.47 CCCCOC(=O)C(C)O B303494 [1,1,0,0,0,0|1,0,1]=4 451 B9R0.55 CC(C)CCCCC(=O)O M304994 [1,1,0,0,0,0|1,0,1]=4 452 B11R0.147 CCCCC(=O)OCCC(C)C I157712 [0,2,0,0,0,0|1,0,1]=4 453 B11R0.180 CC(CCCC(C)(C)O)CC=O H107521 [0,2,0,0,0,0|1,0,1]=4 454 B11R0.2 CCCCCCC(CC(=O)O)O H275671 [0,2,0,0,0,0|1,0,1]=4 455 B11R0.30 CC(C)CCSSCCC(C)C D464848 [0,2,0,0,0,0|2,0,0]=4 456 B11R0.30 CN(C)CCCCCCN(C)C H300687 [0,2,0,0,0,0|2,0,0]=4 457 B11R0.30 CN(C)CCCCCCN(C)C T124565 [0,2,0,0,0,0|2,0,0]=4 458 B11R0.30 CN(C)CCCCCCN(C)C T616340 [0,2,0,0,0,0|2,0,0]=4 459 B11R0.40 CCCCCCCCC(=O)CC U162908 [0,2,0,0,0,0|0,0,2]=4 460 B11R0.40 CCCCCCCCC(=O)OC M114396 [0,2,0,0,0,0|0,0,2]=4 461 B11R0.40 CCCCCCCCC(=O)OC M123199 [0,2,0,0,0,0|0,0,2]=4 462 B11R0.40 CCCCCCCCC(CC)O U162922 [0,2,0,0,0,0|0,0,0]=2 463 B11R0.40 CCCCCCCCC(CO)O D154360 [0,2,0,0,0,0|0,0,0]=2 464 B11R0.40 COC(=O)CCCCCCCBr M588500 [0,2,0,0,0,0|0,0,2]=4 465 B11R0.42 CCCCCCOC(=O)C(C)C H168865 [0,2,0,0,0,0|1,0,1]=4 466 B11R0.46 CCCCCC(=O)OCC(C)C I110869 [0,2,0,0,0,0|1,0,1]=4 467 B11R0.46 CCCCCC(C)CCC(=O)O M158084 [0,2,0,0,0,0|1,0,1]=4 468 B11R0.111 CCC(C)CCCCCC(=O)O B300228 [0,2,0,0,0,0|1,0,1]=4 469 B11R0.148 C(CCCCBr)CCCC(=O)O B123554 [0,2,0,0,0,0|1,0,1]=4 470 B11R0.148 C(CCCCN)CCCC(=O)O A586392 [0,2,0,0,0,0|1,0,1]=4 471 B11R0.148 C(CCCCO)CCCC(=O)O C133682 [0,2,0,0,0,0|1,0,1]=4 472 B11R0.148 C=CCCCCCCCC(=O)O D155291 [0,2,0,0,0,0|1,0,1]=4 473 B11R0.148 CCCCCC=CCCC(=O)O D303268 [0,2,0,0,0,0|1,0,1]=4 474 B11R0.148 CCCCCCCC=CC(=O)O D303461 [0,2,0,0,0,0|1,0,1]=4 475 B11R0.148 CCCCCCCCCC(=O)C U109753 [0,2,0,0,0,0|0,0,2]=4 476 B11R0.148 CCCCCCCCCC(=O)C U109754 [0,2,0,0,0,0|0,0,2]=4 477 B11R0.148 CCCCCCCCCC(=O)C U109755 [0,2,0,0,0,0|0,0,2]=4 478 B11R0.148 CCCCCCCCCC(=O)O D109189 [0,2,0,0,0,0|1,0,1]=4 479 B11R0.148 CCCCCCCCCC(=O)O D109191 [0,2,0,0,0,0|1,0,1]=4 480 B11R0.148 CCCCCCCCCC(=O)O D109192 [0,2,0,0,0,0|1,0,1]=4 481 B11R0.148 CCCCCCCCCC(=O)O D109193 [0,2,0,0,0,0|1,0,1]=4 482 B11R0.148 CCCCCCCCCC(=O)O D423444 [0,2,0,0,0,0|1,0,1]=4 483 B11R0.148 CCCCCCCCCC(C)C I347910 [0,2,0,0,0,0|1,0,0]=3 484 B11R0.148 CCCCCCCCCC(C)C M158517 [0,2,0,0,0,0|1,0,0]=3 485 B11R0.148 CCCCCCCCCC(C)O U162921 [0,2,0,0,0,0|0,0,0]=2 486 B11R0.148 CCCCCCCCCC(C)O U418605 [0,2,0,0,0,0|0,0,0]=2 487 B11R0.148 CCCCCCCCOC(=O)C O102935 [0,2,0,0,0,0|0,0,2]=4 488 B11R0.148 CCCCOCCOCC(=O)O B483984 [0,2,0,0,0,0|1,0,1]=4 489 B11R0.159 CCCCCCCCP(=O)(O)O N159772 [0,2,0,0,0,0|2,0,0]=4 490 B11R0.159 CCCCCCCC[N+](C)(C)C N159334 [0,2,0,0,0,0|2,0,0]=4 491 B11R0.159 CCCCCCCC[N+](C)(C)C T108988 [0,2,0,0,0,0|2,0,0]=4 492 B11R0.159 CCCCCCCC[N+](C)(C)C T401363 [0,2,0,0,0,0|2,0,0]=4 493 B11R0.159 CCCCCCCC[Si](C)(C)Cl D155353 [0,2,0,0,0,0|1,1,0]=4 494 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl D154167 [0,2,0,0,0,0|1,1,0]=4 495 B11R0.176 C(CCC(=O)O)CC(CCS)S D303763 [0,2,0,0,0,0|1,0,1]=4 496 B11R0.154 CCCCCC(CC(=O)OC)O M275874 [0,2,0,0,0,0|0,0,2]=4 497 B11R0.31 CC(C)(C)CCCCCC(=O)O N192441 [0,2,0,0,0,0|1,0,1]=4 498 B11R0.4 CCCCCCCC(=O)CCC U162909 [0,2,0,0,0,0|0,0,2]=4 499 B11R0.4 CCCCCCCC(=O)OC=C V162947 [0,2,0,0,0,0|1,0,1]=4 500 B11R0.4 CCCCCCCC(=O)OCC E101042 [0,2,0,0,0,0|0,0,2]=4 501 B11R0.4 CCCCCCCC(=O)OCC E101043 [0,2,0,0,0,0|0,0,2]=4 502 B11R0.4 CCCCCCCC(CCC)O U162923 [0,2,0,0,0,0|0,0,0]=2 503 B11R0.124 CCCCCCCC(OC)OC N159858 [0,2,0,0,0,0|0,0,0]=2 504 B11R0.142 CCCCCCC(C(=O)OC)Br M193859 [0,2,0,0,0,0|0,0,2]=4 505 B11R0.164 CCCCC(CC)CCC(=O)O E102646 [0,2,0,0,0,0|1,0,1]=4 506 B9R1.8 C#CCC1CCCCC1 C111193 [1,0,0,1,0,0|0,0,2]=4 507 B9R1.8 C1CCC(CC1)CC#N C589137 [1,0,0,1,0,0|1,0,1]=4 508 B9R1.8 C1CCC(CC1)CCBr B113782 [1,0,0,1,0,0|1,0,0]=3 509 B9R1.8 C1CCC(CC1)CCN C153966 [1,0,0,1,0,0|1,0,0]=3 510 B9R1.8 C1CCC(CC1)CCO C153306 [1,0,0,1,0,0|0,0,0]=2 511 B9R1.8 C1CCC(CC1)OCCl C153433 [1,0,0,1,0,0|2,0,0]=4 512 B9R1.8 C1CCN(CC1)CCCl C113518 [1,0,0,1,0,0|2,0,0]=4 513 B9R1.8 C1CCN(CC1)CCN A113914 [1,0,0,1,0,0|2,0,0]=4 514 B9R1.8 C1CCN(CC1)CCN P189302 [1,0,0,1,0,0|2,0,0]=4 515 B9R1.8 C1CCN(CC1)CCO H113280 [1,0,0,1,0,0|1,0,0]=3 516 B9R1.8 C1CCNC(C1)CCO P160104 [1,0,0,1,0,0|1,0,0]=3 517 B9R1.8 C1CCNC(C1)CCO R195067 [1,0,0,1,0,0|1,0,0]=3 518 B9R1.8 C1CCNC(C1)CCO S186630 [1,0,0,1,0,0|1,0,0]=3 519 B9R1.8 C1CCNC(C1)CCO S189442 [1,0,0,1,0,0|1,0,0]=3 520 B9R1.8 C1CN(CCN1)CCO H101744 [1,0,0,1,0,0|2,0,0]=4 521 B9R1.8 C1CNCCC1CCO P121582 [1,0,0,1,0,0|1,0,0]=3 522 B9R1.8 C1CNCCC1CCO P590668 [1,0,0,1,0,0|1,0,0]=3 523 B9R1.8 C1COC(OC1)CCBr B113749 [1,0,0,1,0,0|2,0,0]=4 524 B9R1.8 C1COCCC1CCN A184236 [1,0,0,1,0,0|2,0,0]=4 525 B9R1.8 C1COCCC1CCN A482649 [1,0,0,1,0,0|2,0,0]=4 526 B9R1.8 C1COCCN1CCO H100457 [1,0,0,1,0,0|2,0,0]=4 527 B9R1.8 C=CCC1CCCCC1 A151092 [1,0,0,1,0,0|0,0,2]=4 528 B9R1.8 CCCC1CCCCC1 P160285 [1,0,0,1,0,0|0,0,0]=2 529 B9R1.8 CCCN1CCNCC1 P160720 [1,0,0,1,0,0|2,0,0]=4 530 B9R1.8 CCCN1CCNCC1 P588168 [1,0,0,1,0,0|2,0,0]=4 531 B9R1.8 CCNC1CCCCC1 E124549 [1,0,0,1,0,0|1,0,0]=3 532 B9R1.8 CCOC1CCCNC1 E347267 [1,0,0,1,0,0|2,0,0]=4 533 B9R1.8 COCC1CCNCC1 M176390 [1,0,0,1,0,0|2,0,0]=4 534 B9R1.8 COCC1CCNCC1 M195826 [1,0,0,1,0,0|2,0,0]=4 535 B9R1.8 COCC1CNCCO1 R190852 [1,0,0,1,0,0|2,0,0]=4 536 B9R1.12 C1CCC(C1)CCCO C348026 [1,0,0,1,0,0|0,0,0]=2 537 B9R1.12 C1CCN(C1)CCCCl C176841 [1,0,0,1,0,0|2,0,0]=4 538 B9R1.12 C1CCN(C1)CCCCl C193196 [1,0,0,1,0,0|2,0,0]=4 539 B9R1.12 C1CCN(C1)CCCN A113933 [1,0,0,1,0,0|2,0,0]=4 540 B9R1.12 C1CCN(C1)CCCO P191873 [1,0,0,1,0,0|1,0,0]=3 541 B9R1.12 C1COC(O1)CCCBr B153123 [1,0,0,1,0,0|2,0,0]=4 542 B9R1.12 C1COC(O1)CCCCl C132505 [1,0,0,1,0,0|2,0,0]=4 543 B9R1.12 CCCCN1CCCC1 B123038 [1,0,0,1,0,0|1,0,0]=3 544 B9R1.14 CCN1CCCC1CN A102507 [1,0,0,1,0,0|2,0,0]=4 545 B9R1.14 CCN1CCCC1CN A110239 [1,0,0,1,0,0|2,0,0]=4 546 B9R1.14 CCN1CCCC1CN R300604 [1,0,0,1,0,0|2,0,0]=4 547 B9R1.15 CCC1CCCCC1C E156070 [1,0,0,1,0,0|0,0,0]=2 548 B9R1.15 CCC1CCCCC1O E156074 [1,0,0,1,0,0|0,0,0]=2 549 B9R1.15 CN1CCCCC1CO M106741 [1,0,0,1,0,0|1,0,0]=3 550 B9R1.33 CN1CCCC1CCN A102047 [1,0,0,1,0,0|2,0,0]=4 551 B9R1.33 CN1CCCC1CCO M102052 [1,0,0,1,0,0|1,0,0]=3 552 B9R1.50 C1CC=CCCC(C1)O C193374 [1,0,0,1,0,0|0,0,2]=4 553 B9R1.50 C1CC=CCCC(C1)O E487313 [1,0,0,1,0,0|0,0,2]=4 554 B9R1.50 C1CCCC(=O)CCC1 C106984 [1,0,0,1,0,0|0,0,2]=4 555 B9R1.50 C1CCCC(CCC1)N C153969 [1,0,0,1,0,0|1,0,0]=3 556 B9R1.50 C1CCCC(CCC1)O C153307 [1,0,0,1,0,0|0,0,0]=2 557 B9R1.83 CCCCCCC1CO1 E113793 [1,0,0,1,0,0|0,0,0]=2 558 B9R1.83 CCCCOCC1CO1 B152235 [1,0,0,1,0,0|1,0,0]=3 559 B9R1.89 C1CCCC(=NO)CC1 C153672 [1,0,0,1,0,0|1,0,1]=4 560 B9R1.89 C1CCNCC(C1)CO A177665 [1,0,0,1,0,0|1,0,0]=3 561 B9R1.2 CCC1CCCC(C1)C E156078 [1,0,0,1,0,0|1,0,0]=3 562 B9R1.2 CCN1CCCC(C1)O E156421 [1,0,0,1,0,0|1,0,0]=3 563 B9R1.6 B(C1CCCCC1)(O)O C120310 [1,0,0,1,0,0|2,0,0]=4 564 B9R1.6 C1CCC(CC1)C(=O)O C110756 [1,0,0,1,0,0|1,0,1]=4 565 B9R1.6 CC(=O)C1CCCCC1 C139296 [1,0,0,1,0,0|0,0,2]=4 566 B9R1.6 CC(C)C1CCCCC1 I157551 [1,0,0,1,0,0|1,0,0]=3 567 B9R1.6 CC(C)C1CCNCC1 I157674 [1,0,0,1,0,0|2,0,0]=4 568 B9R1.6 CC(C1CCCCC1)N R160854 [1,0,0,1,0,0|1,0,0]=3 569 B9R1.6 CC(C1CCCCC1)N S161320 [1,0,0,1,0,0|1,0,0]=3 570 B9R1.6 CC(C1CCCCC1)O C166344 [1,0,0,1,0,0|0,0,0]=2 571 B9R1.6 CN(C)C1CCCCC1 D103895 [1,0,0,1,0,0|2,0,0]=4 572 B9R1.7 CCCC1CCC(=O)O1 H111340 [1,0,0,1,0,0|1,0,1]=4 573 B9R1.13 C1CCC(C1)CC(=O)O C113786 [1,0,0,1,0,0|1,0,1]=4 574 B9R1.13 CC(CN1CCCC1)N P170676 [1,0,0,1,0,0|2,0,0]=4 575 B11R1.166 CC1CCC(C(C1)Cl)C(C)C M157917 [0,1,0,1,0,0|2,0,0]=4 576 B11R1.166 CC1CCC(C(C1)O)C(C)C D426737 [0,1,0,1,0,0|2,0,0]=4 577 B11R1.166 CC1CCC(C(C1)O)C(C)C I300611 [0,1,0,1,0,0|2,0,0]=4 578 B11R1.166 CC1CCC(C(C1)O)C(C)C M105138 [0,1,0,1,0,0|2,0,0]=4 579 B11R1.166 CC1CCC(C(C1)O)C(C)C M105139 [0,1,0,1,0,0|2,0,0]=4 580 B11R1.166 CC1CCC(C(C1)O)C(C)C M105270 [0,1,0,1,0,0|2,0,0]=4 581 B11R1.166 CC1CCC(C(C1)O)C(C)C M107058 [0,1,0,1,0,0|2,0,0]=4 582 B11R1.166 CC1CCC(C(C1)O)C(C)C M107059 [0,1,0,1,0,0|2,0,0]=4 583 B11R1.166 CC1CCC(C(C1)O)C(C)C M107060 [0,1,0,1,0,0|2,0,0]=4 584 B11R1.166 CC1CCC(C(C1)O)C(C)C M107061 [0,1,0,1,0,0|2,0,0]=4 585 B11R1.166 CC1CCC(C(C1)O)C(C)C N158923 [0,1,0,1,0,0|2,0,0]=4 586 B11R1.166 CC1CCC(C(C1)O)C(C)C R422655 [0,1,0,1,0,0|2,0,0]=4 587 B11R1.24 CCCCC1CCCC(=O)O1 N117517 [0,1,0,1,0,0|1,0,1]=4 588 B11R1.27 CCCCCC1CCC(=O)O1 N101430 [0,1,0,1,0,0|1,0,1]=4 589 B11R1.91 C1CCC(CC1)CCC(=O)O C106974 [0,1,0,1,0,0|1,0,1]=4 590 B11R1.91 CC(CCN1CCOCC1)N M168076 [0,1,0,1,0,0|2,0,0]=4 591 B11R1.99 CCCCCCCCC1CO1 E156384 [0,1,0,1,0,0|0,0,0]=2 592 B11R1.230 CCCCC1C(CC(=O)O1)C B152725 [0,1,0,1,0,0|1,0,1]=4 593 B11R1.928 C1CCC(CC1)(CC(=O)O)N A169998 [0,1,0,1,0,0|1,0,1]=4 594 B11R1.87 CC(C)(C)C1CCCCC1N T337720 [0,1,0,1,0,0|2,0,0]=4 595 B11R1.509 CC(C)(CN1CCNCC1)O M586237 [0,1,0,1,0,0|2,0,0]=4 596 B11R1.20 C1CC(CCC1CC(=O)O)O H404576 [0,1,0,1,0,0|1,0,1]=4 597 B11R1.20 CC(C)OC1CCC(CC1)N T587503 [0,1,0,1,0,0|2,0,0]=4 598 B11R1.23 COC(=O)C1CCCC(C1)O M406445 [0,1,0,1,0,0|1,0,1]=4 599 B11R1.1 C1CN(CCC1O)CCCCl C190967 [0,1,0,1,0,0|2,0,0]=4 600 B11R1.1 CCCCC1CCC(CC1)N B151813 [0,1,0,1,0,0|1,0,0]=3 601 B11R1.1 CCCCC1CCC(CC1)O B134826 [0,1,0,1,0,0|0,0,0]=2 602 B11R1.40 COC(=O)CC1CCCCC1 M133230 [0,1,0,1,0,0|0,0,2]=4 603 B11R1.40 COC(=O)CC1CCCCC1 M491852 [0,1,0,1,0,0|0,0,2]=4 604 B11R1.35 C1CCC(C1)CC(C(=O)O)N C188895 [0,1,0,1,0,0|1,0,1]=4 605 B11R1.36 C1CCC(CC1)C(C(=O)O)N C115877 [0,1,0,1,0,0|1,0,1]=4 606 B11R1.36 C1CCC(CC1)C(C(=O)O)N C119123 [0,1,0,1,0,0|1,0,1]=4 607 B11R1.36 C1CCC(CC1)C(C(=O)O)O C348615 [0,1,0,1,0,0|1,0,1]=4 608 B11R1.36 CC(C1CCCCC1)C(=O)O C589625 [0,1,0,1,0,0|1,0,1]=4 609 B11R2.703 C1CNCCC12CC(C2)O A176872 [0,0,0,2,0,0|1,0,0]=3 610 B11R2.845 C1CC2CC1CC2C(=O)O B590261 [0,0,0,2,0,0|1,0,1]=4 611 B11R2.533 CC1CCC2CC1C2(C)C P109121 [0,0,0,2,0,0|1,0,0]=3 612 B11R2.432 CN1C2CCC1CC(C2)O E190701 [0,0,0,2,0,0|1,0,0]=3 613 B11R2.432 CN1C2CCC1CC(C2)O T101251 [0,0,0,2,0,0|1,0,0]=3 614 B11R2.432 CN1C2CCC1CC(C2)O T420895 [0,0,0,2,0,0|1,0,0]=3 615 B11R2.1034 C1C(O1)CCCCC2CO2 O159986 [0,0,0,2,0,0|1,0,0]=3